{"title":"BOOMSLANG:一个用于组合结构生成的程序","authors":"David A. Cosgrove, Peter W. Kenny","doi":"10.1016/0263-7855(95)00040-2","DOIUrl":null,"url":null,"abstract":"<div><p>An approach to exploiting pharmacophore models is described. Structures are assembled combinatorially from user-defined fragments and flexibly overlaid into the reference frame of the pharmacophore using distance geometry and molecular mechanics. The match with the pharmacophore is quantified by conformational energy and volume of overlap.</p></div>","PeriodicalId":73837,"journal":{"name":"Journal of molecular graphics","volume":"14 1","pages":"Pages 1-5"},"PeriodicalIF":0.0000,"publicationDate":"1996-02-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1016/0263-7855(95)00040-2","citationCount":"19","resultStr":"{\"title\":\"BOOMSLANG: A program for combinatorial structure generation\",\"authors\":\"David A. Cosgrove, Peter W. Kenny\",\"doi\":\"10.1016/0263-7855(95)00040-2\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><p>An approach to exploiting pharmacophore models is described. Structures are assembled combinatorially from user-defined fragments and flexibly overlaid into the reference frame of the pharmacophore using distance geometry and molecular mechanics. The match with the pharmacophore is quantified by conformational energy and volume of overlap.</p></div>\",\"PeriodicalId\":73837,\"journal\":{\"name\":\"Journal of molecular graphics\",\"volume\":\"14 1\",\"pages\":\"Pages 1-5\"},\"PeriodicalIF\":0.0000,\"publicationDate\":\"1996-02-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"https://sci-hub-pdf.com/10.1016/0263-7855(95)00040-2\",\"citationCount\":\"19\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of molecular graphics\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/0263785595000402\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of molecular graphics","FirstCategoryId":"1085","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/0263785595000402","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
BOOMSLANG: A program for combinatorial structure generation
An approach to exploiting pharmacophore models is described. Structures are assembled combinatorially from user-defined fragments and flexibly overlaid into the reference frame of the pharmacophore using distance geometry and molecular mechanics. The match with the pharmacophore is quantified by conformational energy and volume of overlap.
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